7-amino-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;bis(1-[[3-[(3R,5R)-5-(4-chloro-3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one);1-[[3-[(3R,5R)-5-(3-fluoro-5-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-phenylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one

C149H139Cl2FN42O21 — CID 157223674

About 7-amino-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;bis(1-[[3-[(3R,5R)-5-(4-chloro-3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one);1-[[3-[(3R,5R)-5-(3-fluoro-5-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-phenylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one

7-amino-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;bis(1-[[3-[(3R,5R)-5-(4-chloro-3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one);1-[[3-[(3R,5R)-5-(3-fluoro-5-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-phenylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one (PubChem CID 157223674) has the molecular formula C149H139Cl2FN42O21 and a molecular weight of 2943.93 g/mol. Its IUPAC name is 7-amino-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;bis(1-[[3-[(3R,5R)-5-(4-chloro-3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one);1-[[3-[(3R,5R)-5-(3-fluoro-5-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-phenylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one.

Molecular Properties

• Compound Name: 7-amino-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;bis(1-[[3-[(3R,5R)-5-(4-chloro-3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one);1-[[3-[(3R,5R)-5-(3-fluoro-5-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-phenylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
• PubChem CID: 157223674
• Molecular Formula: C149H139Cl2FN42O21
• Molecular Weight: 2943.93 g/mol
• Exact Mass: 2941.05
• IUPAC Name: 7-amino-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;bis(1-[[3-[(3R,5R)-5-(4-chloro-3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one);1-[[3-[(3R,5R)-5-(3-fluoro-5-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-phenylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
• SMILES: Cc1cc(F)cc([C@H]2C[C@H](c3noc(Cn4cnc5ncn(C)c5c4=O)n3)CO2)c1.Cc1cc([C@H]2C[C@H](c3noc(Cn4cnc5ncn(C)c5c4=O)n3)CO2)ccc1Cl.Cc1cc([C@H]2C[C@H](c3noc(Cn4cnc5ncn(C)c5c4=O)n3)CO2)ccc1Cl.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnc5nc(N)ccc5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnc5ncn(C)c5c4=O)n3)CO2)cc1.Cn1cnc2ncn(Cc3nc([C@@H]4CO[C@@H](c5ccc(-c6ccccc6)cc5)C4)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc([C@@H]4CO[C@@H](c5ccc6ccccc6c5)C4)no3)c(=O)c21
• InChI: InChI=1S/C25H22N6O3.C23H20N6O3.C21H20N6O3.2C20H19ClN6O3.C20H19FN6O3.C20H20N6O3/c1-30-14-26-24-22(30)25(32)31(15-27-24)12-21-28-23(29-34-21)19-11-20(33-13-19)18-9-7-17(8-10-18)16-5-3-2-4-6-16;1-28-12-24-22-20(28)23(30)29(13-25-22)10-19-26-21(27-32-19)17-9-18(31-11-17)16-7-6-14-4-2-3-5-15(14)8-16;1-12-2-4-13(5-3-12)16-8-14(10-29-16)19-25-18(30-26-19)9-27-11-23-20-15(21(27)28)6-7-17(22)24-20;2*1-11-5-12(3-4-14(11)21)15-6-13(8-29-15)18-24-16(30-25-18)7-27-10-23-19-17(20(27)28)26(2)9-22-19;1-11-3-12(5-14(21)4-11)15-6-13(8-29-15)18-24-16(30-25-18)7-27-10-23-19-17(20(27)28)26(2)9-22-19;1-12-3-5-13(6-4-12)15-7-14(9-28-15)18-23-16(29-24-18)8-26-11-22-19-17(20(26)27)25(2)10-21-19/h2-10,14-15,19-20H,11-13H2,1H3;2-8,12-13,17-18H,9-11H2,1H3;2-7,11,14,16H,8-10H2,1H3,(H2,22,24);3*3-5,9-10,13,15H,6-8H2,1-2H3;3-6,10-11,14-15H,7-9H2,1-2H3/t19-,20+;17-,18+;14-,16+;3*13-,15+;14-,15+/m0000000/s1
• InChIKey: ATHGBNUFJIEUDQ-ZZSFLBIUSA-N
• XLogP: 18.70
• TPSA: 727.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 63
• Rotatable Bonds: 29
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2943.93
LogP ≤ 5	18.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	63

Frequently Asked Questions

What is the IUPAC name of 7-amino-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;bis(1-[[3-[(3R,5R)-5-(4-chloro-3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one);1-[[3-[(3R,5R)-5-(3-fluoro-5-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-phenylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?

The IUPAC name of 7-amino-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;bis(1-[[3-[(3R,5R)-5-(4-chloro-3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one);1-[[3-[(3R,5R)-5-(3-fluoro-5-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-phenylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one (CID 157223674) is 7-amino-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;bis(1-[[3-[(3R,5R)-5-(4-chloro-3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one);1-[[3-[(3R,5R)-5-(3-fluoro-5-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-phenylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one.

What is the SMILES notation for 7-amino-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;bis(1-[[3-[(3R,5R)-5-(4-chloro-3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one);1-[[3-[(3R,5R)-5-(3-fluoro-5-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-phenylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?

The canonical SMILES for 7-amino-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;bis(1-[[3-[(3R,5R)-5-(4-chloro-3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one);1-[[3-[(3R,5R)-5-(3-fluoro-5-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-phenylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one is Cc1cc(F)cc([C@H]2C[C@H](c3noc(Cn4cnc5ncn(C)c5c4=O)n3)CO2)c1.Cc1cc([C@H]2C[C@H](c3noc(Cn4cnc5ncn(C)c5c4=O)n3)CO2)ccc1Cl.Cc1cc([C@H]2C[C@H](c3noc(Cn4cnc5ncn(C)c5c4=O)n3)CO2)ccc1Cl.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnc5nc(N)ccc5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnc5ncn(C)c5c4=O)n3)CO2)cc1.Cn1cnc2ncn(Cc3nc([C@@H]4CO[C@@H](c5ccc(-c6ccccc6)cc5)C4)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc([C@@H]4CO[C@@H](c5ccc6ccccc6c5)C4)no3)c(=O)c21.

What is the InChIKey of 7-amino-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;bis(1-[[3-[(3R,5R)-5-(4-chloro-3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one);1-[[3-[(3R,5R)-5-(3-fluoro-5-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-phenylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?

The InChIKey is ATHGBNUFJIEUDQ-ZZSFLBIUSA-N. The full InChI is InChI=1S/C25H22N6O3.C23H20N6O3.C21H20N6O3.2C20H19ClN6O3.C20H19FN6O3.C20H20N6O3/c1-30-14-26-24-22(30)25(32)31(15-27-24)12-21-28-23(29-34-21)19-11-20(33-13-19)18-9-7-17(8-10-18)16-5-3-2-4-6-16;1-28-12-24-22-20(28)23(30)29(13-25-22)10-19-26-21(27-32-19)17-9-18(31-11-17)16-7-6-14-4-2-3-5-15(14)8-16;1-12-2-4-13(5-3-12)16-8-14(10-29-16)19-25-18(30-26-19)9-27-11-23-20-15(21(27)28)6-7-17(22)24-20;2*1-11-5-12(3-4-14(11)21)15-6-13(8-29-15)18-24-16(30-25-18)7-27-10-23-19-17(20(27)28)26(2)9-22-19;1-11-3-12(5-14(21)4-11)15-6-13(8-29-15)18-24-16(30-25-18)7-27-10-23-19-17(20(27)28)26(2)9-22-19;1-12-3-5-13(6-4-12)15-7-14(9-28-15)18-23-16(29-24-18)8-26-11-22-19-17(20(26)27)25(2)10-21-19/h2-10,14-15,19-20H,11-13H2,1H3;2-8,12-13,17-18H,9-11H2,1H3;2-7,11,14,16H,8-10H2,1H3,(H2,22,24);3*3-5,9-10,13,15H,6-8H2,1-2H3;3-6,10-11,14-15H,7-9H2,1-2H3/t19-,20+;17-,18+;14-,16+;3*13-,15+;14-,15+/m0000000/s1.

What are the key properties of 7-amino-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;bis(1-[[3-[(3R,5R)-5-(4-chloro-3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one);1-[[3-[(3R,5R)-5-(3-fluoro-5-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-phenylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?

7-amino-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;bis(1-[[3-[(3R,5R)-5-(4-chloro-3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one);1-[[3-[(3R,5R)-5-(3-fluoro-5-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-phenylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one has a molecular weight of 2943.93 g/mol, XLogP of 18.70, 29 rotatable bonds, 1 hydrogen bond donors, and 63 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;bis(1-[[3-[(3R,5R)-5-(4-chloro-3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one);1-[[3-[(3R,5R)-5-(3-fluoro-5-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-phenylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one is sourced from PubChem (CID 157223674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).